Inverted Conformation Stability of a Motor Molecule on a Metal Surface

J Phys Chem C Nanomater Interfaces. 2022 Jun 2;126(21):9034-9040. doi: 10.1021/acs.jpcc.2c00406. Epub 2022 May 18.

Abstract

Molecular motors have been intensely studied in solution, but less commonly on solid surfaces that offer fixed points of reference for their motion and allow high-resolution single-molecule imaging by scanning probe microscopy. Surface adsorption of molecules can also alter the potential energy surface and consequently preferred intramolecular conformations, but it is unknown how this affects motor molecules. Here, we show how the different conformations of motor molecules are modified by surface adsorption using a combination of scanning tunneling microscopy and density functional theory. These results demonstrate how the contact of a motor molecule with a solid can affect the energetics of the molecular conformations.